SCHEMBL5136133

SCHEMBL5136133

CCOc1nc(NC(=O)c2ccccc2)c(C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.50
TP53 P04637 1/20 0.50
DHODH Q02127 1/20 0.49
ALDH1A1 P00352 5/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
P2RX3 P56373 1/20 0.47
LMNA P02545 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5136140 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MAPTTP53ALDH1A1TSHR
SCHEMBL27734018 0.70 MAPT (0.53) SMN1; SMN2MAPTTP53ALDH1A1HTT
SCHEMBL8607458 0.70 HTT (0.41) SMN1; SMN2MAPTTP53ALDH1A1HTT
SCHEMBL11831465 0.69 MEN1 (0.64) SMN1; SMN2MAPTTP53HTTP2RX3
SCHEMBL3582729 0.68 NPC1 (0.73) SMN1; SMN2MAPTTP53ALDH1A1LMNA
SCHEMBL8458962 0.68 KMT2A (0.45) SMN1; SMN2MAPTTP53ALDH1A1TSHR
SCHEMBL5196774 0.68 NPC1 (0.56) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL5195674 0.68 XDH (0.62) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL3584407 0.68 SMN1; SMN2 (0.80) SMN1; SMN2MAPTTP53ALDH1A1HTT
SCHEMBL8970981 0.67 PTK2 (0.70) SMN1; SMN2MAPTTP53ALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669068-B1 Compounds effecting Glucokinase ASTRAZENECA AB (SE) 2008-06-11 EP disclosed
EP-1674097-B1 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2008-06-11 EP disclosed
EP-1661567-B1 Compounds effecting Glucokinase ASTRAZENECA AB (SE) 2008-06-11 EP disclosed